N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C16H14N4O2S — CID 135541105

IUPACN-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N4O2S/c21-15(10-18-16(22)14-6-3-7-23-14)20-19-9-11-8-17-13-5-2-1-4-12(11)13/h1-9,17H,10H2,(H,18,22)(H,20,21)/b19-9+
InChIKeyLLAMGLPNJVZGQE-DJKKODMXSA-N
MW326.38 g/mol
LogP2.11
Rot. Bonds5

About N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 135541105) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID135541105
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N4O2S/c21-15(10-18-16(22)14-6-3-7-23-14)20-19-9-11-8-17-13-5-2-1-4-12(11)13/h1-9,17H,10H2,(H,18,22)(H,20,21)/b19-9+
InChIKeyLLAMGLPNJVZGQE-DJKKODMXSA-N
XLogP2.11
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 135541105) is N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is LLAMGLPNJVZGQE-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-15(10-18-16(22)14-6-3-7-23-14)20-19-9-11-8-17-13-5-2-1-4-12(11)13/h1-9,17H,10H2,(H,18,22)(H,20,21)/b19-9+.
What are the key properties of N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 135541105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).